N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide

C17H23ClN2O3 — CID 90623934

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
SMILESCOC(CNC(=O)C(=O)NC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-23-15(13-9-5-6-10-14(13)18)11-19-16(21)17(22)20-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJNKDZSRQNXCNSE-UHFFFAOYSA-N
MW338.83 g/mol
LogP2.59
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide (PubChem CID 90623934) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
PubChem CID90623934
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
SMILESCOC(CNC(=O)C(=O)NC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-23-15(13-9-5-6-10-14(13)18)11-19-16(21)17(22)20-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJNKDZSRQNXCNSE-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941
N'-cyclopropyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 71810552
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
CID 99876096
(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide
CID 99592280
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90623943
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 90623967
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 90623949
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876254
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
CID 90598682

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide (CID 90623934) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide is COC(CNC(=O)C(=O)NC1CCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide?
The InChIKey is JNKDZSRQNXCNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-23-15(13-9-5-6-10-14(13)18)11-19-16(21)17(22)20-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide has a molecular weight of 338.83 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide is sourced from PubChem (CID 90623934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).